N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: 1-ethyl-4-nitro-N-piperonyl-pyrazole-3-carboxamide Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-2-17-7-10(18(20)21)13(16-17)14(19)15-6-9-3-4-11-12(5-9)23-8-22-11/h3-5,7H,2,6,8H2,1H3,(H,15,19)